SCHEMBL2861272

SCHEMBL2861272

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
RIN1 Q13671 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
SLC22A12 Q96S37 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2865471 0.88 CYP3A4 (0.45) MAPTAKR1C3AKR1C2CYP2D6CYP2C19
SCHEMBL2867456 0.86 SLC22A12 (0.42) MAPTPOLBHTTSLC22A12LMNA
SCHEMBL15225594 0.86 STS (0.46) MAPTKDM4EABL1POLBRECQL
SCHEMBL2862959 0.86 PTGS2 (0.42) MAPTPOLBCYP2D6CYP2C19HSP90AA1
SCHEMBL15225836 0.85 MAPT (0.48) MAPTKDM4EABL1POLBRECQL
SCHEMBL2871577 0.85 ATM (0.43) MAPTPOLBHTTALDH1A1LMNA
SCHEMBL2860047 0.85 PTGS2 (0.42) AKR1C3AKR1C2HPGDSLC6A2
SCHEMBL2862917 0.85 HPGD (0.40) MAPTKDM4EPOLBRECQLCYP2D6
SCHEMBL2863104 0.85 GAA (0.51) RECQLCYP2C19CYP3A4HTTGAA
SCHEMBL2859112 0.85 TSHR (0.51) MAPTCYP2C19CYP3A4HTTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885KDM4E 2968/4885ABL1 514/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885KDM4E 2968/4885ABL1 514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.